5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H11FN4OS — CID 58285471

IUPAC5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)13-9-18-15-20(13)19-14(22-15)17-8-12-5-2-6-21-12/h1-7,9H,8H2,(H,17,19)
InChIKeyUCWCOOMNGZPWGF-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.80
Rot. Bonds4

About 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285471) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285471
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC Name5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)13-9-18-15-20(13)19-14(22-15)17-8-12-5-2-6-21-12/h1-7,9H,8H2,(H,17,19)
InChIKeyUCWCOOMNGZPWGF-UHFFFAOYSA-N
XLogP3.80
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285471) is 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UCWCOOMNGZPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)13-9-18-15-20(13)19-14(22-15)17-8-12-5-2-6-21-12/h1-7,9H,8H2,(H,17,19).
What are the key properties of 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 314.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).